[(2-bromophenyl)methyl]hydrazine

• ChemBase ID: 117842
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: c1(c(Br)cccc1)CNN
• Canonical SMILES: NNCc1ccccc1Br
• InChI: InChI=1S/C7H9BrN2/c8-7-4-2-1-3-6(7)5-10-9/h1-4,10H,5,9H2
• InChIKey: OHOLTPDWHLBTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromophenyl)methyl]hydrazine
• IUPAC Traditional name: [(2-bromophenyl)methyl]hydrazine
• Synonyms: 1-[(2-bromophenyl)methyl]hydrazine; (2-bromobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 51421-27-3
• MDL Number: MFCD11976409; MFCD09046506
• PubChem SID: 162090817
• PubChem CID: 16774131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5320315
• LogD (pH = 7.4): 1.6808419
• Log P: 1.6831114
• Molar Refractivity: 57.1311 cm^3
• Polarizability: 17.771973 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.603
• Hydrophobicity(logP): 1.567

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl